REMARK Name = BDB025986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.076 -0.570 -0.575 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.533 -1.741 -1.125 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.333 -2.774 -1.435 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.831 -1.886 -1.378 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.714 -0.844 -1.088 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.190 0.350 -0.536 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.181 0.477 -0.282 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.114 -0.942 -1.283 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.772 -1.602 -0.119 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.244 -1.972 -0.463 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -6.004 -2.346 0.815 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.359 -2.940 -1.588 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.601 -4.328 -1.203 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.190 -2.867 -2.496 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.554 -1.464 -2.601 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.228 -0.166 0.183 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.625 -1.330 0.473 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.301 -1.435 0.219 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.517 -0.433 -0.314 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.235 0.717 -0.574 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.559 0.872 -0.342 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 8.671 -0.110 2.733 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.731 -0.800 1.372 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.476 0.051 0.480 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.709 0.559 -0.617 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.311 1.048 -0.207 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.570 -0.026 0.453 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.326 -1.205 0.864 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.133 1.370 -0.296 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.073 1.094 -0.574 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.936 2.599 0.279 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.896 3.051 0.741 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.188 3.406 0.367 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.706 3.878 1.648 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.820 4.634 1.674 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -5.519 4.992 0.414 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.533 5.677 0.420 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.955 4.505 -0.740 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.427 4.762 -1.599 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.816 3.739 -0.773 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.980 3.469 2.898 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -2.971 2.113 3.018 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -3.615 3.929 4.013 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6